4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine

C12H12F2N2O3 — CID 117428577

IUPAC4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(C(F)F)cc1OC
InChIInChI=1S/C12H12F2N2O3/c1-17-9-3-6(8-5-16-19-12(8)15)7(11(13)14)4-10(9)18-2/h3-5,11H,15H2,1-2H3
InChIKeyVCNHZQYGCDQKJS-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine

4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117428577) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117428577
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(C(F)F)cc1OC
InChIInChI=1S/C12H12F2N2O3/c1-17-9-3-6(8-5-16-19-12(8)15)7(11(13)14)4-10(9)18-2/h3-5,11H,15H2,1-2H3
InChIKeyVCNHZQYGCDQKJS-UHFFFAOYSA-N
XLogP2.88
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117424037

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117428577) is 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)c(C(F)F)cc1OC.
What is the InChIKey of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is VCNHZQYGCDQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-17-9-3-6(8-5-16-19-12(8)15)7(11(13)14)4-10(9)18-2/h3-5,11H,15H2,1-2H3.
What are the key properties of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 270.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117428577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).